SCHEMBL7008686

SCHEMBL7008686

CCN1CC=C(c2c[nH]c3ccc(NC(C)=O)nc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 9/20 1.00
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
HTR1D P28221 3/20 0.48
HTR1A P08908 2/20 0.48
HTR1B P28222 2/20 0.48
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR6 P50406 1/20 0.42
HTR4 Q13639 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7014571 0.89 HTR1F (0.80) HTR1FKDM4ELMNAALOX15HTR1D
SCHEMBL7015948 0.88 HTR1F (0.79) HTR1FKDM4ELMNAALOX15HTR1D
SCHEMBL7007093 0.88 HTR1F (0.83) HTR1FKDM4ELMNAALOX15HTR1D
SCHEMBL7012793 0.86 HTR1F (0.76) HTR1FKDM4ELMNAALOX15HTR1D
SCHEMBL7008625 0.86 HTR1F (0.75) HTR1FKDM4EALOX15HTR1DHTR1A
SCHEMBL7013847 0.86 HTR1F (1.00) HTR1FKDM4ELMNAALOX15HTR1D
SCHEMBL7014886 0.84 HTR1F (0.73) HTR1FKDM4ELMNAALOX15HTR1D
SCHEMBL7015971 0.84 HTR1F (0.73) HTR1FKDM4ELMNAALOX15HTR1D
SCHEMBL7011728 0.83 HTR1F (0.71) HTR1FKDM4ELMNAALOX15HTR1A
SCHEMBL7009825 0.79 HTR1F (0.66) HTR1FKDM4ELMNAALOX15HTR1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842934-B1 5-HT1F agonists LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1082958-A2 5-HT1F agonists in chronic pain ELI LILLY AND COMPANY (US) 2001-03-14 EP disclosed
EP-0842934-A1 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-05-20 EP disclosed